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Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine

The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetra­kis­(bromo­meth­yl)pyrazine with sodium methane­thiol­ate, crystallizes with a half -mol­ecule in the asymmetric unit. The whole mol­ecule is generated by inversion symmetry; the inversion centre being located in th...

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Autores principales: Assoumatine, Tokouré, Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186201/
https://www.ncbi.nlm.nih.gov/pubmed/25309236
http://dx.doi.org/10.1107/S1600536814011246
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author Assoumatine, Tokouré
Stoeckli-Evans, Helen
author_facet Assoumatine, Tokouré
Stoeckli-Evans, Helen
author_sort Assoumatine, Tokouré
collection PubMed
description The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetra­kis­(bromo­meth­yl)pyrazine with sodium methane­thiol­ate, crystallizes with a half -mol­ecule in the asymmetric unit. The whole mol­ecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The mol­ecule has an S-shaped conformation with two (methyl­sulfan­yl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H(3))—S—C(H(2))—C(aromatic) torsion angles are 70.47 (18) and −67.65 (17)°, respectively. In the crystal, mol­ecules are linked via weak C—H⋯S hydrogen bonds, forming chains along [001] and enclosing R (2) (2)(12) ring motifs. The chains are linked by further weak C—H⋯S hydrogen bonds, forming sheets lying parallel to (101).
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spelling pubmed-41862012014-10-12 Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine Assoumatine, Tokouré Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(12)H(20)N(2)S(4), synthesized by the reaction of 2,3,5,6-tetra­kis­(bromo­meth­yl)pyrazine with sodium methane­thiol­ate, crystallizes with a half -mol­ecule in the asymmetric unit. The whole mol­ecule is generated by inversion symmetry; the inversion centre being located in the centre of the pyrazine ring. The mol­ecule has an S-shaped conformation with two (methyl­sulfan­yl)methyl substituent arms directed above the plane of the pyrazine ring and two below. The C(H(3))—S—C(H(2))—C(aromatic) torsion angles are 70.47 (18) and −67.65 (17)°, respectively. In the crystal, mol­ecules are linked via weak C—H⋯S hydrogen bonds, forming chains along [001] and enclosing R (2) (2)(12) ring motifs. The chains are linked by further weak C—H⋯S hydrogen bonds, forming sheets lying parallel to (101). International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186201/ /pubmed/25309236 http://dx.doi.org/10.1107/S1600536814011246 Text en © Assoumatine and Stoeckli-Evans 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Assoumatine, Tokouré
Stoeckli-Evans, Helen
Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title_full Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title_fullStr Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title_full_unstemmed Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title_short Crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
title_sort crystal structure of 2,3,5,6-tetra­kis[(methyl­sulfan­yl)meth­yl]pyrazine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186201/
https://www.ncbi.nlm.nih.gov/pubmed/25309236
http://dx.doi.org/10.1107/S1600536814011246
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